2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

C11H14FN3O4S — CID 8841002

IUPAC2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-8(12)4-6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17)
InChIKeyNCMMTHMHCKXCAO-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.34
Rot. Bonds4

About 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8841002) has the molecular formula C11H14FN3O4S and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8841002
Molecular FormulaC11H14FN3O4S
Molecular Weight303.32 g/mol
Exact Mass303.07
IUPAC Name2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-8(12)4-6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17)
InChIKeyNCMMTHMHCKXCAO-UHFFFAOYSA-N
XLogP-0.34
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-cyclohexylphenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841087
2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 56501579
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
1-(benzenesulfonamido)-3-propan-2-ylurea
CID 47173657
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N'-(4-fluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504906
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
N'-(4-fluorophenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980783
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
2-[2-[4-[(2-methylphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 9305972
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8841002) is 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is NCMMTHMHCKXCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-8(12)4-6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 303.32 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8841002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).